4ACX
 
 | | Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 23 | | Descriptor: | (8R)-8-[4-(DIFLUOROMETHOXY)PHENYL]-3,3-DIFLUORO-8-[3-(3-METHOXYPROP-1-YN-1-YL)PHENYL]-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE, ACETATE ION, BETA-SECRETASE 1 | | Authors: | Swahn, B, Holenz, J, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Plobeck, N, Rotticci, D, Sehgelmeble, F, Sundstrom, M, von Berg, S, Falting, J, Georgievska, B, Gustavsson, S, Neelissen, J, Ek, M, Olsson, L.L, Berg, S. | | Deposit date: | 2011-12-20 | | Release date: | 2012-02-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Bioorg. Med. Chem. Lett., 22, 2012
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4ACU
 | | Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 14 | | Descriptor: | (8S)-3,3-DIFLUORO-8-(2'-FLUORO-3'-METHOXYBIPHENYL-3-YL)-8-PYRIDIN-4-YL-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE, ACETATE ION, BETA-SECRETASE 1 | | Authors: | Swahn, B, Holenz, J, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Plobeck, N, Rotticci, D, Sehgelmeble, F, Sundstrom, M, von Berg, S, Falting, J, Georgievska, B, Gustavsson, S, Neelissen, J, Ek, M, Olsson, L.L, Berg, S. | | Deposit date: | 2011-12-19 | | Release date: | 2012-02-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Bioorg. Med. Chem. Lett., 22, 2012
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4AZY
 | | Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND 10) | | Descriptor: | (1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine, ACETATE ION, BETA-SECRETASE 1, ... | | Authors: | Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J. | | Deposit date: | 2012-06-27 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
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4B00
 | | Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND (R)-41) | | Descriptor: | 5-{(1R)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1H)-one, ACETATE ION, BETA-SECRETASE 1 | | Authors: | Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J. | | Deposit date: | 2012-06-27 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
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1DQR
 | | CRYSTAL STRUCTURE OF RABBIT PHOSPHOGLUCOSE ISOMERASE, A GLYCOLYTIC ENZYME THAT MOONLIGHTS AS NEUROLEUKIN, AUTOCRINE MOTILITY FACTOR, AND DIFFERENTIATION MEDIATOR | | Descriptor: | 6-PHOSPHOGLUCONIC ACID, PHOSPHOGLUCOSE ISOMERASE | | Authors: | Bahnson, B.J, Jeffery, C.J, Ringe, D, Petsko, G.A. | | Deposit date: | 2000-01-05 | | Release date: | 2000-02-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of rabbit phosphoglucose isomerase, a glycolytic enzyme that moonlights as neuroleukin, autocrine motility factor, and differentiation mediator.
Biochemistry, 39, 2000
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1EY3
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2B1P
 | | inhibitor complex of JNK3 | | Descriptor: | 3-{6-[(2-CHLOROPHENYL)AMINO]-1H-INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID, BETA-MERCAPTOETHANOL, Mitogen-activated protein kinase 10, ... | | Authors: | Swahn, B.M, Huerta, F, Kallin, E, Malmstrom, J, Weigelt, T, Viklund, J, Womack, P, Xue, Y, Ohberg, L. | | Deposit date: | 2005-09-16 | | Release date: | 2006-09-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and synthesis of 6-anilinoindazoles as selective inhibitors of c-Jun N-terminal kinase-3
Bioorg.Med.Chem.Lett., 15, 2005
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1COJ
 | | FE-SOD FROM AQUIFEX PYROPHILUS, A HYPERTHERMOPHILIC BACTERIUM | | Descriptor: | FE (III) ION, PROTEIN (SUPEROXIDE DISMUTASE) | | Authors: | Lim, J.H, Yu, Y.G, Kim, S.-H, Cho, S.-J, Ahn, B.Y, Han, Y.S, Cho, Y. | | Deposit date: | 1999-05-28 | | Release date: | 1999-06-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of an Fe-superoxide dismutase from the hyperthermophile Aquifex pyrophilus at 1.9 A resolution: structural basis for thermostability.
J.Mol.Biol., 270, 1997
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5XB1
 | | human ferritin mutant - E-helix deletion | | Descriptor: | Ferritin heavy chain | | Authors: | Lee, S.G, Ahn, B.J, Jeong, H, Kim, H, Hyun, J, Jung, Y. | | Deposit date: | 2017-03-15 | | Release date: | 2018-02-21 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Four-fold Channel-Nicked Human Ferritin Nanocages for Active Drug Loading and pH-Responsive Drug Release
Angew. Chem. Int. Ed. Engl., 57, 2018
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5YI5
 | | human ferritin mutant - E-helix deletion | | Descriptor: | Ferritin heavy chain | | Authors: | Lee, S.G, Yoon, H.R, Ahn, B.J, Jeong, H, Hyun, J, Jung, Y, Kim, H. | | Deposit date: | 2017-10-02 | | Release date: | 2018-02-21 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Four-fold Channel-Nicked Human Ferritin Nanocages for Active Drug Loading and pH-Responsive Drug Release
Angew. Chem. Int. Ed. Engl., 57, 2018
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1EFE
 | | AN ACTIVE MINI-PROINSULIN, M2PI | | Descriptor: | MINI-PROINSULIN | | Authors: | Cho, Y, Chang, S.G, Choi, K.D, Shin, H, Ahn, B, Kim, K.S. | | Deposit date: | 2000-02-08 | | Release date: | 2000-03-17 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of an Active Mini-Proinsulin, M2PI: Inter-chain Flexibility is Crucial for Insulin Activity
J.Biochem.Mol.Biol., 33, 2000
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3G4E
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1FXF
 | | CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + MJ33 INHIBITOR + PHOSPHATE IONS) | | Descriptor: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHATE ION, ... | | Authors: | Pan, Y.H, Epstein, T.M, Jain, M.K, Bahnson, B.J. | | Deposit date: | 2000-09-25 | | Release date: | 2001-09-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Five coplanar anion binding sites on one face of phospholipase A2: relationship to interface binding.
Biochemistry, 40, 2001
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1FX9
 | | CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + MJ33 INHIBITOR + SULPHATE IONS) | | Descriptor: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHOLIPASE A2, ... | | Authors: | Pan, Y.H, Epstein, T.M, Jain, M.K, Bahnson, B.J. | | Deposit date: | 2000-09-25 | | Release date: | 2001-09-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Five coplanar anion binding sites on one face of phospholipase A2: relationship to interface binding.
Biochemistry, 40, 2001
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1AXG
 | | CRYSTAL STRUCTURE OF THE VAL203->ALA MUTANT OF LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH COFACTOR NAD AND INHIBITOR TRIFLUOROETHANOL SOLVED TO 2.5 ANGSTROM RESOLUTION | | Descriptor: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ... | | Authors: | Colby, T.D, Chin, J.K, Bahnson, B.J, Goldstein, B.M, Klinman, J.P. | | Deposit date: | 1997-10-15 | | Release date: | 1998-04-15 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A link between protein structure and enzyme catalyzed hydrogen tunneling.
Proc.Natl.Acad.Sci.USA, 94, 1997
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1A71
 | | TERNARY COMPLEX OF AN ACTIVE SITE DOUBLE MUTANT OF HORSE LIVER ALCOHOL DEHYDROGENASE, PHE93=>TRP, VAL203=>ALA WITH NAD AND TRIFLUOROETHANOL | | Descriptor: | LIVER ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ... | | Authors: | Colby, T.D, Bahnson, B.J, Chin, J.K, Klinman, J.P, Goldstein, B.M. | | Deposit date: | 1998-03-19 | | Release date: | 1998-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Active site modifications in a double mutant of liver alcohol dehydrogenase: structural studies of two enzyme-ligand complexes.
Biochemistry, 37, 1998
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1A72
 | | AN ACTIVE-SITE DOUBLE MUTANT (PHE93->TRP, VAL203->ALA) OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH THE ISOSTERIC NAD ANALOG CPAD | | Descriptor: | 5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE, HORSE LIVER ALCOHOL DEHYDROGENASE, ZINC ION | | Authors: | Colby, T.D, Bahnson, B.J, Chin, J.K, Klinman, J.P, Goldstein, B.M. | | Deposit date: | 1998-03-19 | | Release date: | 1998-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Active site modifications in a double mutant of liver alcohol dehydrogenase: structural studies of two enzyme-ligand complexes.
Biochemistry, 37, 1998
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3G4H
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3F98
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3D59
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1HN4
 | | PROPHOSPHOLIPASE A2 DIMER COMPLEXED WITH MJ33, SULFATE, AND CALCIUM | | Descriptor: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PROPHOSPHOLIPASE A2, ... | | Authors: | Epstein, T.M, Pan, Y.H, Jain, M.K, Bahnson, B.J. | | Deposit date: | 2000-12-06 | | Release date: | 2001-12-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The basis for k(cat) impairment in prophospholipase A(2) from the anion-assisted dimer structure.
Biochemistry, 40, 2001
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3MBG
 | | Crystal Structure of Human Augmenter of Liver Regeneration (ALR) | | Descriptor: | ACETATE ION, FAD-linked sulfhydryl oxidase ALR, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Dong, M, Schaefer, S, Daithankar, V.N, Thorpe, C, Bahnson, B.J. | | Deposit date: | 2010-03-25 | | Release date: | 2010-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of the human sulfhydryl oxidase augmenter of liver regeneration and characterization of a human mutation causing an autosomal recessive myopathy .
Biochemistry, 49, 2010
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1Y6O
 | | Crystal structure of disulfide engineered porcine pancreatic phospholipase A2 to group-X isozyme in complex with inhibitor MJ33 and phosphate ions | | Descriptor: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHATE ION, ... | | Authors: | Yu, B.Z, Pan, Y.H, Jassen, M.J.W, Bahnson, B.J, Jain, M.K. | | Deposit date: | 2004-12-06 | | Release date: | 2005-03-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic and structural properties of disulfide engineered phospholipase a(2): insight into the role of disulfide bonding patterns.
Biochemistry, 44, 2005
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1Y1A
 | | CRYSTAL STRUCTURE OF CALCIUM AND INTEGRIN BINDING PROTEIN | | Descriptor: | CALCIUM ION, Calcium and integrin binding 1 (calmyrin), GLUTATHIONE | | Authors: | Blamey, C.J, Ceccarelli, C, Naik, U.P, Bahnson, B.J. | | Deposit date: | 2004-11-17 | | Release date: | 2005-05-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The crystal structure of calcium- and integrin-binding protein 1: Insights into redox regulated functions
Protein Sci., 14, 2005
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3D5E
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